4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole

C14H25N3S — CID 64940443

IUPAC4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCC1(C)CN(Cc2cscn2)C(C(C)C)CN1
InChIInChI=1S/C14H25N3S/c1-5-14(4)9-17(7-12-8-18-10-15-12)13(6-16-14)11(2)3/h8,10-11,13,16H,5-7,9H2,1-4H3
InChIKeyMHGCOSSRHRFVCG-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.74
Rot. Bonds4

About 4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole

4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 64940443) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID64940443
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCC1(C)CN(Cc2cscn2)C(C(C)C)CN1
InChIInChI=1S/C14H25N3S/c1-5-14(4)9-17(7-12-8-18-10-15-12)13(6-16-14)11(2)3/h8,10-11,13,16H,5-7,9H2,1-4H3
InChIKeyMHGCOSSRHRFVCG-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,5-diethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64941412
4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole
CID 64942380
5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine
CID 107055837
5-ethyl-5-methyl-1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylpiperazine
CID 82872161
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64847914
2-[2-(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64941574
1-(cyclohexylmethyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64848291
5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine
CID 82947083
1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 102862613
5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64940459
5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
CID 81113589
5,5-diethyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpiperazine
CID 64947762

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole (CID 64940443) is 4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole is CCC1(C)CN(Cc2cscn2)C(C(C)C)CN1.
What is the InChIKey of 4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is MHGCOSSRHRFVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-5-14(4)9-17(7-12-8-18-10-15-12)13(6-16-14)11(2)3/h8,10-11,13,16H,5-7,9H2,1-4H3.
What are the key properties of 4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 267.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 64940443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).